Cas no 340-04-5 (2,2,2-Trifluoro-1-phenylethanol)

2,2,2-Trifluoro-1-phenylethanol structure
340-04-5 structure
Product Name:2,2,2-Trifluoro-1-phenylethanol
CAS No:340-04-5
MF:C8H7F3O
MW:176.135792970657
MDL:MFCD00004498
CID:918661
PubChem ID:24859193
Update Time:2025-04-19

2,2,2-Trifluoro-1-phenylethanol Chemical and Physical Properties

Names and Identifiers

    • 2,2,2-Trifluoro-1-phenylethanol
    • α-(TrifluoroMethyl)benzyl alcohol
    • NSC20214
    • 2,2,2-trifluoro-1-phenyl-1-ethanol
    • DB-059324
    • 10.14272/VNOMEAQPOMDWSR-UHFFFAOYSA-N
    • DTXSID50909418
    • T1792
    • CS-0121625
    • A822037
    • alpha-(Trifluoromethyl)benzyl alcohol, 98%
    • DB-068923
    • (1S)-2,2,2-Trifluoro-1-phenyl-ethanol
    • alpha-(trifluoromethyl)benzylalcohol
    • SY064700
    • SY061787
    • alpha-- (trifluoromethyl) benzenemethanol
    • (S)-alpha-(Trifluoromethyl)benzyl alcohol
    • AKOS005207118
    • 2,2,2-trifluoro-1-phenylethan-1-ol
    • NSC-20214
    • NS00041554
    • (S)-1-Phenyl-2,2,2-trifluoroethanol
    • Benzyl alcohol, alpha-(trifluoromethyl)-
    • 1-PHENYL-2,2,2-TRIFLUOROETHAN-1-OL
    • phenyltrifluoromethylcarbinol
    • XFNFCYFQKYUJAA-UHFFFAOYSA-N
    • (1)-alpha-(Trifluoromethyl)benzyl alcohol
    • doi:10.14272/VNOMEAQPOMDWSR-UHFFFAOYSA-N
    • (+/-)-alpha-(Trifluoromethyl)benzyl alcohol
    • SCHEMBL44838
    • AMY7158
    • EINECS 206-429-1
    • EINECS 234-094-1
    • alpha-(trifluoromethyl) benzenemethanol
    • (1R)-2,2,2-Trifluoro-1-phenyl-ethanol
    • A801194
    • J-019415
    • alpha-(Trifluoromethyl)benzenemethanol
    • 2,2,2-tris(fluoranyl)-1-phenyl-ethanol
    • beta,beta,beta-Trifluoro-alpha-hydroxyethylbenzene
    • alpha-(Trifluoromethyl)benzyl alcohol
    • (R)-alpha-(Trifluoromethyl)benzyl alcohol
    • Alpha-(trifluoromethyl)benzyl?alcohol
    • CHEMBL320271
    • 1-Phenyl-2,2,2-trifluoroethanol
    • 2,2,2-Trifluorophenylethanol
    • NSC 20214
    • 1-phenyl-2,2,2-trifluoroethanol;(+/-)-alpha-(trifluoromethyl)benzyl alcohol;
    • alpha-(Trifluoromethyl) benzyl alcohol
    • (+/-)-a-(trifluoromethyl)benzyl alcohol
    • 2R-0700
    • (+/-)-alpha-(Trifluoromethyl)benzyl alcohol, >=98.0% (GC)
    • 340-04-5
    • EINECS 206-430-7
    • alpha -(Trifluoromethyl)benzyl alcohol
    • 2,2,2-Trifluoro-1-phenyl-ethanol
    • J-506746
    • Benzenemethanol, alpha-(trifluoromethyl)-
    • 340-05-6
    • A822039
    • EN300-139082
    • a-trifluoromethyl benzyl alcohol
    • MFCD00004498
    • (+/-)- alpha -(Trifluoromethyl)benzyl alcohol
    • ethanol, 2,2,2-trifluoro-1-phenyl-
    • 1-phenyl-2,2,2-trifluoromethylethanol
    • ALBB-025773
    • MDL: MFCD00004498
    • Inchi: 1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
    • InChI Key: VNOMEAQPOMDWSR-UHFFFAOYSA-N
    • SMILES: FC(C(C1C=CC=CC=1)O)(F)F

Computed Properties

  • Exact Mass: 176.04491
  • Monoisotopic Mass: 176.04489933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Yellow transparent liquid
  • Density: 1.293?g/mL?at 25?°C(lit.)
  • Boiling Point: 64-65?°C/5?mmHg(lit.)
  • Flash Point: Fahrenheit: 183.2 ° f < br / > Celsius: 84 ° C < br / >
  • Refractive Index: n20/D 1.4610(lit.)
  • PSA: 20.23
  • Solubility: Not determined

2,2,2-Trifluoro-1-phenylethanol Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • FLUKA BRAND F CODES:10-23
  • Hazardous Material Identification: Xi
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

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